SCHEMBL4816465

SCHEMBL4816465

CC#CCn1c(N2CCCC(N)C2)nc2c(=O)n(CC(=O)O)n(Cc3cc(C#N)c4ccccc4n3)c(=O)c21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
CHRM1 P11229 6/20 0.57
DPP9 Q86TI2 2/20 0.52
POU2F2 P09086 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
POU2F1 P14859 1/20 0.52
CHRM3 P20309 1/20 0.52
HRH2 P25021 1/20 0.52
MC4R P32245 1/20 0.52
FAP Q12884 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
GHSR Q92847 1/20 0.52
CYP3A4 P08684 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8283505 0.92 DPP4 (0.58) DPP4CHRM1DPP9POU2F2ADORA3
SCHEMBL14045540 0.92 DPP4 (0.52) DPP4CHRM1CYP3A4
SCHEMBL4812485 0.88 DPP4 (0.68) DPP4CHRM1CYP3A4
SCHEMBL4812463 0.88 DPP4 (0.68) DPP4CHRM1CYP3A4
SCHEMBL4812678 0.88 DPP4 (0.64) DPP4CHRM1CYP3A4
SCHEMBL4812848 0.85 DPP4 (0.67) DPP4CHRM1FAP
SCHEMBL4812831 0.85 DPP4 (0.67) DPP4CHRM1FAP
SCHEMBL4815740 0.84 DPP4 (0.55) DPP4CHRM1
SCHEMBL8284589 0.83 DPP4 (0.57) DPP4CHRM1
SCHEMBL4807130 0.83 DPP4 (0.68) DPP4CHRM1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432262-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-07 US disclosed
US-7432262-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-07 US disclosed
US-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US disclosed
US-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US disclosed
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions ECKHARDT MATTHIAS 2007-06-21 US disclosed
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions ECKHARDT MATTHIAS 2007-06-21 US disclosed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 624/4885DPP9 4/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 611/4885DPP9 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.